| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:52 UTC |
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| Update Date | 2025-03-25 00:46:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155542 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H5NO5 |
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| Molecular Mass | 147.0168 |
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| SMILES | CC(=O)C(C(=O)O)[N+](=O)[O-] |
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| InChI Key | LVVMFZXYUHTOLF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativesc-nitro compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesnitro fatty acidsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain keto acids and derivatives |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundshort-chain keto acidbeta-keto acidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketonenitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundorganic hyponitrite |
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